2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine

C17H23N5 — CID 119122360

IUPAC2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine
SMILESCc1nccn1CC(C)CNCc1nc2ccccc2n1C
InChIInChI=1S/C17H23N5/c1-13(12-22-9-8-19-14(22)2)10-18-11-17-20-15-6-4-5-7-16(15)21(17)3/h4-9,13,18H,10-12H2,1-3H3
InChIKeyYREMSCWOALKHPM-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.50
Rot. Bonds6

About 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine

2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine (PubChem CID 119122360) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine
PubChem CID119122360
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine
SMILESCc1nccn1CC(C)CNCc1nc2ccccc2n1C
InChIInChI=1S/C17H23N5/c1-13(12-22-9-8-19-14(22)2)10-18-11-17-20-15-6-4-5-7-16(15)21(17)3/h4-9,13,18H,10-12H2,1-3H3
InChIKeyYREMSCWOALKHPM-UHFFFAOYSA-N
XLogP2.50
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 119110505
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777
2-methyl-3-(2-methylimidazol-1-yl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 119122493
N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122506
3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
CID 66176732
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122482
2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 119122355
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methylpyrazin-2-yl)methanamine
CID 63756235
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122490
3-[[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]methyl]benzonitrile
CID 119122446
2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750882

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine (CID 119122360) is 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine is Cc1nccn1CC(C)CNCc1nc2ccccc2n1C.
What is the InChIKey of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine?
The InChIKey is YREMSCWOALKHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-13(12-22-9-8-19-14(22)2)10-18-11-17-20-15-6-4-5-7-16(15)21(17)3/h4-9,13,18H,10-12H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine?
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine has a molecular weight of 297.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 119122360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).