(2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

C15H19ClN6 — CID 97112739

IUPAC(2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESC[C@H](Cn1cncn1)N[C@H](C)c1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C15H19ClN6/c1-10(7-22-9-17-8-18-22)19-11(2)15-20-13-6-12(16)4-5-14(13)21(15)3/h4-6,8-11,19H,7H2,1-3H3/t10-,11-/m1/s1
InChIKeyNTMBEUWOMLUOSJ-GHMZBOCLSA-N
MW318.81 g/mol
LogP2.56
Rot. Bonds5

About (2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

(2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 97112739) has the molecular formula C15H19ClN6 and a molecular weight of 318.81 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID97112739
Molecular FormulaC15H19ClN6
Molecular Weight318.81 g/mol
Exact Mass318.14
IUPAC Name(2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESC[C@H](Cn1cncn1)N[C@H](C)c1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C15H19ClN6/c1-10(7-22-9-17-8-18-22)19-11(2)15-20-13-6-12(16)4-5-14(13)21(15)3/h4-6,8-11,19H,7H2,1-3H3/t10-,11-/m1/s1
InChIKeyNTMBEUWOMLUOSJ-GHMZBOCLSA-N
XLogP2.56
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(1R)-1-(5-chloro-2-methoxyphenyl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 97230935
(2R)-N-[(1R)-1-(5-chloro-2-methoxyphenyl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 97230936
(2S)-N-[(1R)-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 97321988
5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole
CID 52644652
4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine
CID 43371877
3-(5-chloro-1-methylbenzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 54772628
(2S)-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 97230931
(2S)-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 97230929
(6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 97112755
N-[1-(2,4-dichlorophenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24629761
2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine
CID 62327428
(5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine
CID 54920059

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of (2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 97112739) is (2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for (2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is C[C@H](Cn1cncn1)N[C@H](C)c1nc2cc(Cl)ccc2n1C.
What is the InChIKey of (2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is NTMBEUWOMLUOSJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H19ClN6/c1-10(7-22-9-17-8-18-22)19-11(2)15-20-13-6-12(16)4-5-14(13)21(15)3/h4-6,8-11,19H,7H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
(2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 318.81 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 97112739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).