[1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine

C17H18N4 — CID 114290065

IUPAC[1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine
SMILESNCc1ccc2c(c1)nc(Cc1cccnc1)n2C1CC1
InChIInChI=1S/C17H18N4/c18-10-12-3-6-16-15(8-12)20-17(21(16)14-4-5-14)9-13-2-1-7-19-11-13/h1-3,6-8,11,14H,4-5,9-10,18H2
InChIKeyXZGRHSDIWVLGMD-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.82
Rot. Bonds4

About [1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine

[1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine (PubChem CID 114290065) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is [1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine
PubChem CID114290065
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name[1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine
SMILESNCc1ccc2c(c1)nc(Cc1cccnc1)n2C1CC1
InChIInChI=1S/C17H18N4/c18-10-12-3-6-16-15(8-12)20-17(21(16)14-4-5-14)9-13-2-1-7-19-11-13/h1-3,6-8,11,14H,4-5,9-10,18H2
InChIKeyXZGRHSDIWVLGMD-UHFFFAOYSA-N
XLogP2.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine
CID 65037851
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
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110712108
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
2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 62506035
4-[1-methyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid
CID 162646642

Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine?
The IUPAC name of [1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine (CID 114290065) is [1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine is NCc1ccc2c(c1)nc(Cc1cccnc1)n2C1CC1.
What is the InChIKey of [1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine?
The InChIKey is XZGRHSDIWVLGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-10-12-3-6-16-15(8-12)20-17(21(16)14-4-5-14)9-13-2-1-7-19-11-13/h1-3,6-8,11,14H,4-5,9-10,18H2.
What are the key properties of [1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine?
[1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine has a molecular weight of 278.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 114290065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).