N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C18H19ClF3N5 — CID 129338254

IUPACN-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCn1c(CNC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)nc2ccc(Cl)cc21
InChIInChI=1S/C18H19ClF3N5/c1-26-14-6-12(19)3-4-13(14)24-17(26)8-23-7-11-2-5-16-25-15(18(20,21)22)10-27(16)9-11/h3-4,6,10-11,23H,2,5,7-9H2,1H3/t11-/m0/s1
InChIKeyMUAIWFVNKNUHOU-NSHDSACASA-N
MW397.83 g/mol
LogP3.79
Rot. Bonds4

About N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129338254) has the molecular formula C18H19ClF3N5 and a molecular weight of 397.83 g/mol. Its IUPAC name is N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129338254
Molecular FormulaC18H19ClF3N5
Molecular Weight397.83 g/mol
Exact Mass397.13
IUPAC NameN-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCn1c(CNC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)nc2ccc(Cl)cc21
InChIInChI=1S/C18H19ClF3N5/c1-26-14-6-12(19)3-4-13(14)24-17(26)8-23-7-11-2-5-16-25-15(18(20,21)22)10-27(16)9-11/h3-4,6,10-11,23H,2,5,7-9H2,1H3/t11-/m0/s1
InChIKeyMUAIWFVNKNUHOU-NSHDSACASA-N
XLogP3.79
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129001546
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129333757
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128974915
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128972677
N-[(4-morpholin-4-ylphenyl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129342633
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129339074
N-[(6-fluoroquinolin-8-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129339682
4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide
CID 129005386
1-(2-methylpyrazol-3-yl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129327730
3-[[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]methyl]-1H-quinolin-2-one
CID 129344590
5-ethyl-4-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]furan-2-carboxamide
CID 129328959
2-(1-methylpyrazol-4-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 124737660

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129338254) is N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is Cn1c(CNC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)nc2ccc(Cl)cc21.
What is the InChIKey of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is MUAIWFVNKNUHOU-NSHDSACASA-N. The full InChI is InChI=1S/C18H19ClF3N5/c1-26-14-6-12(19)3-4-13(14)24-17(26)8-23-7-11-2-5-16-25-15(18(20,21)22)10-27(16)9-11/h3-4,6,10-11,23H,2,5,7-9H2,1H3/t11-/m0/s1.
What are the key properties of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 397.83 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129338254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).