N-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide

C14H18N4O — CID 54133294

IUPACN-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide
SMILESNC1CCCC(c2nc3c(NC=O)cccc3[nH]2)C1
InChIInChI=1S/C14H18N4O/c15-10-4-1-3-9(7-10)14-17-12-6-2-5-11(16-8-19)13(12)18-14/h2,5-6,8-10H,1,3-4,7,15H2,(H,16,19)(H,17,18)
InChIKeyNVWOEVHVNPYNEM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.12
Rot. Bonds3

About N-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide

N-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide (PubChem CID 54133294) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide.

Molecular Properties

Compound NameN-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide
PubChem CID54133294
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide
SMILESNC1CCCC(c2nc3c(NC=O)cccc3[nH]2)C1
InChIInChI=1S/C14H18N4O/c15-10-4-1-3-9(7-10)14-17-12-6-2-5-11(16-8-19)13(12)18-14/h2,5-6,8-10H,1,3-4,7,15H2,(H,16,19)(H,17,18)
InChIKeyNVWOEVHVNPYNEM-UHFFFAOYSA-N
XLogP2.12
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide?
The IUPAC name of N-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide (CID 54133294) is N-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide.
What is the SMILES notation for N-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide?
The canonical SMILES for N-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide is NC1CCCC(c2nc3c(NC=O)cccc3[nH]2)C1.
What is the InChIKey of N-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide?
The InChIKey is NVWOEVHVNPYNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-4-1-3-9(7-10)14-17-12-6-2-5-11(16-8-19)13(12)18-14/h2,5-6,8-10H,1,3-4,7,15H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide?
N-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide has a molecular weight of 258.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminocyclohexyl)-1H-benzimidazol-4-yl]formamide is sourced from PubChem (CID 54133294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).