(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine

C18H25N5 — CID 95229565

IUPAC(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(C[C@@H](C)NCc2nc3cc(C)c(C)cc3[nH]2)n1
InChIInChI=1S/C18H25N5/c1-11-6-16-17(7-12(11)2)21-18(20-16)9-19-14(4)10-23-15(5)8-13(3)22-23/h6-8,14,19H,9-10H2,1-5H3,(H,20,21)/t14-/m1/s1
InChIKeyVNZKDLWMTUFTMR-CQSZACIVSA-N
MW311.43 g/mol
LogP3.17
Rot. Bonds5

About (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine

(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (PubChem CID 95229565) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
PubChem CID95229565
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(C[C@@H](C)NCc2nc3cc(C)c(C)cc3[nH]2)n1
InChIInChI=1S/C18H25N5/c1-11-6-16-17(7-12(11)2)21-18(20-16)9-19-14(4)10-23-15(5)8-13(3)22-23/h6-8,14,19H,9-10H2,1-5H3,(H,20,21)/t14-/m1/s1
InChIKeyVNZKDLWMTUFTMR-CQSZACIVSA-N
XLogP3.17
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine with MolForge

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Related Compounds

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
CID 126448508
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197634
1-(3,5-dimethylpyrazol-1-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)propan-2-amine
CID 56718473
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
CID 95201478
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine
CID 81073665
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 95205420
4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide
CID 131930276
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine
CID 95213205
(2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197767
N-[(2-chloro-6-fluorophenyl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 134711922
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 79258066
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The IUPAC name of (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (CID 95229565) is (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine is Cc1cc(C)n(C[C@@H](C)NCc2nc3cc(C)c(C)cc3[nH]2)n1.
What is the InChIKey of (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The InChIKey is VNZKDLWMTUFTMR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N5/c1-11-6-16-17(7-12(11)2)21-18(20-16)9-19-14(4)10-23-15(5)8-13(3)22-23/h6-8,14,19H,9-10H2,1-5H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine has a molecular weight of 311.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 95229565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).