N-(cyclohexylmethyl)-1H-benzimidazol-2-amine

C14H19N3 — CID 18685672

IUPACN-(cyclohexylmethyl)-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NCC3CCCCC3)nc2c1
InChIInChI=1S/C14H19N3/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h4-5,8-9,11H,1-3,6-7,10H2,(H2,15,16,17)
InChIKeyABNNIACEGFYOIA-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.56
Rot. Bonds3

About N-(cyclohexylmethyl)-1H-benzimidazol-2-amine

N-(cyclohexylmethyl)-1H-benzimidazol-2-amine (PubChem CID 18685672) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1H-benzimidazol-2-amine
PubChem CID18685672
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-(cyclohexylmethyl)-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NCC3CCCCC3)nc2c1
InChIInChI=1S/C14H19N3/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h4-5,8-9,11H,1-3,6-7,10H2,(H2,15,16,17)
InChIKeyABNNIACEGFYOIA-UHFFFAOYSA-N
XLogP3.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71636788
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine
CID 133410029
5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 164602928
2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide
CID 133410842
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine
CID 133409978
N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410366
N-(1H-benzimidazol-2-yl)-3-cyclopentylpropanamide
CID 4659981
1-(1H-benzimidazol-2-yl)-3-cyclohexylurea
CID 4159955
N-prop-2-enyl-1H-benzimidazol-2-amine
CID 11171255
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-1H-benzimidazol-2-amine (CID 18685672) is N-(cyclohexylmethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1H-benzimidazol-2-amine is c1ccc2[nH]c(NCC3CCCCC3)nc2c1.
What is the InChIKey of N-(cyclohexylmethyl)-1H-benzimidazol-2-amine?
The InChIKey is ABNNIACEGFYOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h4-5,8-9,11H,1-3,6-7,10H2,(H2,15,16,17).
What are the key properties of N-(cyclohexylmethyl)-1H-benzimidazol-2-amine?
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine has a molecular weight of 229.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 18685672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).