(2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine

C18H19N3 — CID 65037851

IUPAC(2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine
SMILESNCc1ccc2c(c1)nc(Cc1ccccc1)n2C1CC1
InChIInChI=1S/C18H19N3/c19-12-14-6-9-17-16(10-14)20-18(21(17)15-7-8-15)11-13-4-2-1-3-5-13/h1-6,9-10,15H,7-8,11-12,19H2
InChIKeyFCIVEFCWECPZAM-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.42
Rot. Bonds4

About (2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine

(2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine (PubChem CID 65037851) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine
PubChem CID65037851
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name(2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine
SMILESNCc1ccc2c(c1)nc(Cc1ccccc1)n2C1CC1
InChIInChI=1S/C18H19N3/c19-12-14-6-9-17-16(10-14)20-18(21(17)15-7-8-15)11-13-4-2-1-3-5-13/h1-6,9-10,15H,7-8,11-12,19H2
InChIKeyFCIVEFCWECPZAM-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine
CID 114290065
2-benzyl-1-cyclopropylbenzimidazol-5-amine
CID 82486059
(1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine
CID 65037611
4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline
CID 60785645
[1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine
CID 65037708
[1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine
CID 65037808
4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784546
[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine
CID 60783970
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
CID 60785360
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
CID 43660199
6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine
CID 60783944

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine?
The IUPAC name of (2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine (CID 65037851) is (2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for (2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine?
The canonical SMILES for (2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine is NCc1ccc2c(c1)nc(Cc1ccccc1)n2C1CC1.
What is the InChIKey of (2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine?
The InChIKey is FCIVEFCWECPZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c19-12-14-6-9-17-16(10-14)20-18(21(17)15-7-8-15)11-13-4-2-1-3-5-13/h1-6,9-10,15H,7-8,11-12,19H2.
What are the key properties of (2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine?
(2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine has a molecular weight of 277.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 65037851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).