1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine

C18H27N3 — CID 79757596

IUPAC1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine
SMILESCCNC(CCCc1nc2ccccc2n1CC)C1CC1
InChIInChI=1S/C18H27N3/c1-3-19-15(14-12-13-14)9-7-11-18-20-16-8-5-6-10-17(16)21(18)4-2/h5-6,8,10,14-15,19H,3-4,7,9,11-13H2,1-2H3
InChIKeyXAJYXSSTIFJPBO-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.77
Rot. Bonds8

About 1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine

1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine (PubChem CID 79757596) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine
PubChem CID79757596
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine
SMILESCCNC(CCCc1nc2ccccc2n1CC)C1CC1
InChIInChI=1S/C18H27N3/c1-3-19-15(14-12-13-14)9-7-11-18-20-16-8-5-6-10-17(16)21(18)4-2/h5-6,8,10,14-15,19H,3-4,7,9,11-13H2,1-2H3
InChIKeyXAJYXSSTIFJPBO-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromohexyl)-1-ethylbenzimidazole
CID 79751263
1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
CID 79750805
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
CID 79750125
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol
CID 79750581
1-ethyl-2-pentylbenzimidazole
CID 3463966
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
CID 79750551
1-cyclopropyl-N-[2-(2-propylbenzimidazol-1-yl)ethyl]ethanamine
CID 115971092
4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79750506
1-cyclopropyl-N-ethyl-4-(1-ethylimidazol-2-yl)butan-1-amine
CID 79762173
N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine
CID 103516859
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine
CID 105007782

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine (CID 79757596) is 1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine is CCNC(CCCc1nc2ccccc2n1CC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine?
The InChIKey is XAJYXSSTIFJPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-19-15(14-12-13-14)9-7-11-18-20-16-8-5-6-10-17(16)21(18)4-2/h5-6,8,10,14-15,19H,3-4,7,9,11-13H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine?
1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 79757596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).