1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine

C17H23N3 — CID 61291804

IUPAC1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine
SMILESNC1(c2nc3ccccc3n2C2CC2)CCCCCC1
InChIInChI=1S/C17H23N3/c18-17(11-5-1-2-6-12-17)16-19-14-7-3-4-8-15(14)20(16)13-9-10-13/h3-4,7-8,13H,1-2,5-6,9-12,18H2
InChIKeyYMTUUHASYJRUJO-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.88
Rot. Bonds2

About 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine

1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine (PubChem CID 61291804) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine
PubChem CID61291804
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine
SMILESNC1(c2nc3ccccc3n2C2CC2)CCCCCC1
InChIInChI=1S/C17H23N3/c18-17(11-5-1-2-6-12-17)16-19-14-7-3-4-8-15(14)20(16)13-9-10-13/h3-4,7-8,13H,1-2,5-6,9-12,18H2
InChIKeyYMTUUHASYJRUJO-UHFFFAOYSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-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

1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine
CID 61290439
1-(1-phenylbenzimidazol-2-yl)cyclopentan-1-amine
CID 61291383
1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61292527
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 65243114
1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cycloheptylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;1-[1-(cyclooctylmethyl)piperidin-4-yl]-5-methyl-2-piperidin-4-ylbenzimidazole;ethane
CID 144722219
1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine
CID 21268138
1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine
CID 61290898
1-cyclopropyl-N-methylbenzimidazol-2-amine
CID 21043921
1-(1,3-benzoxazol-2-yl)cyclohexan-1-amine
CID 61290076
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclohexan-1-amine;1-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]cyclopentan-1-amine;3-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]propan-1-amine;(3R,5S)-5-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]pyrrolidin-3-ol;(4R)-4-[1-[1-(cyclooctylmethyl)piperidin-4-yl]benzimidazol-2-yl]-1,3-thiazolidine
CID 158367700
[1-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentyl]methanamine
CID 115433455

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine?
The IUPAC name of 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine (CID 61291804) is 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine is NC1(c2nc3ccccc3n2C2CC2)CCCCCC1.
What is the InChIKey of 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine?
The InChIKey is YMTUUHASYJRUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-17(11-5-1-2-6-12-17)16-19-14-7-3-4-8-15(14)20(16)13-9-10-13/h3-4,7-8,13H,1-2,5-6,9-12,18H2.
What are the key properties of 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine?
1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 61291804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).