4-heptan-4-yl-1H-benzimidazol-2-amine

C14H21N3 — CID 91368922

IUPAC4-heptan-4-yl-1H-benzimidazol-2-amine
SMILESCCCC(CCC)c1cccc2[nH]c(N)nc12
InChIInChI=1S/C14H21N3/c1-3-6-10(7-4-2)11-8-5-9-12-13(11)17-14(15)16-12/h5,8-10H,3-4,6-7H2,1-2H3,(H3,15,16,17)
InChIKeyCFUQXAPMMSMEJA-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.83
Rot. Bonds5

About 4-heptan-4-yl-1H-benzimidazol-2-amine

4-heptan-4-yl-1H-benzimidazol-2-amine (PubChem CID 91368922) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-heptan-4-yl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-heptan-4-yl-1H-benzimidazol-2-amine
PubChem CID91368922
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-heptan-4-yl-1H-benzimidazol-2-amine
SMILESCCCC(CCC)c1cccc2[nH]c(N)nc12
InChIInChI=1S/C14H21N3/c1-3-6-10(7-4-2)11-8-5-9-12-13(11)17-14(15)16-12/h5,8-10H,3-4,6-7H2,1-2H3,(H3,15,16,17)
InChIKeyCFUQXAPMMSMEJA-UHFFFAOYSA-N
XLogP3.83
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-benzimidazole-2,4-diamine;hydrochloride
CID 169014009
4-methyl-1H-benzimidazol-2-amine;trihydrate;trihydrochloride
CID 141030572
2,6-di(heptan-4-yl)aniline;2,6-di(nonan-5-yl)aniline
CID 161487195
4-(trifluoromethylsulfanyl)-1H-benzimidazol-2-amine
CID 131599442
4-prop-2-enyl-1H-benzimidazol-2-amine
CID 66897302
methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate
CID 131599439
2-amino-1H-benzimidazole-4-carboxamide
CID 10442222
2-amino-N-methyl-1H-benzimidazole-4-carboxamide
CID 166892984
1-heptadecan-9-yl-9H-carbazole
CID 132513625
1-octacosan-4-ylnaphthalene
CID 54149804
1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride
CID 165495037
4-chloro-2-pentan-2-yl-1H-benzimidazole
CID 60978644

Frequently Asked Questions

What is the IUPAC name of 4-heptan-4-yl-1H-benzimidazol-2-amine?
The IUPAC name of 4-heptan-4-yl-1H-benzimidazol-2-amine (CID 91368922) is 4-heptan-4-yl-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-heptan-4-yl-1H-benzimidazol-2-amine?
The canonical SMILES for 4-heptan-4-yl-1H-benzimidazol-2-amine is CCCC(CCC)c1cccc2[nH]c(N)nc12.
What is the InChIKey of 4-heptan-4-yl-1H-benzimidazol-2-amine?
The InChIKey is CFUQXAPMMSMEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-6-10(7-4-2)11-8-5-9-12-13(11)17-14(15)16-12/h5,8-10H,3-4,6-7H2,1-2H3,(H3,15,16,17).
What are the key properties of 4-heptan-4-yl-1H-benzimidazol-2-amine?
4-heptan-4-yl-1H-benzimidazol-2-amine has a molecular weight of 231.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptan-4-yl-1H-benzimidazol-2-amine is sourced from PubChem (CID 91368922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).