2-undecyl-1H-benzimidazol-4-amine

C18H29N3 — CID 65427678

IUPAC2-undecyl-1H-benzimidazol-4-amine
SMILESCCCCCCCCCCCc1nc2c(N)cccc2[nH]1
InChIInChI=1S/C18H29N3/c1-2-3-4-5-6-7-8-9-10-14-17-20-16-13-11-12-15(19)18(16)21-17/h11-13H,2-10,14,19H2,1H3,(H,20,21)
InChIKeySYJWGJFZNCZKDT-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.22
Rot. Bonds10

About 2-undecyl-1H-benzimidazol-4-amine

2-undecyl-1H-benzimidazol-4-amine (PubChem CID 65427678) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-undecyl-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-undecyl-1H-benzimidazol-4-amine
PubChem CID65427678
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-undecyl-1H-benzimidazol-4-amine
SMILESCCCCCCCCCCCc1nc2c(N)cccc2[nH]1
InChIInChI=1S/C18H29N3/c1-2-3-4-5-6-7-8-9-10-14-17-20-16-13-11-12-15(19)18(16)21-17/h11-13H,2-10,14,19H2,1H3,(H,20,21)
InChIKeySYJWGJFZNCZKDT-UHFFFAOYSA-N
XLogP5.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-undecyl-1H-benzimidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethoxymethyl)-1H-benzimidazol-4-amine
CID 63691528
2-docosyl-1H-benzimidazole
CID 141189761
2-pentyl-4-(1-phenylpropyl)-1H-benzimidazole
CID 155676737
4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
2-(cyclopentylmethyl)-1H-benzimidazol-4-amine
CID 63691018
2-[(4-ethoxyphenyl)methyl]-1H-benzimidazol-4-amine
CID 82067042
2-[(3,4-dimethylphenyl)methyl]-1H-benzimidazol-4-amine
CID 55227516
2-decylbenzene-1,3-diamine
CID 141061522
2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine
CID 65155678
2-heptadecyl-1H-benzimidazole;sulfuric acid
CID 70491996
3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine
CID 84622657
1H-benzimidazole-2,4-diamine;hydrochloride
CID 169014009

Frequently Asked Questions

What is the IUPAC name of 2-undecyl-1H-benzimidazol-4-amine?
The IUPAC name of 2-undecyl-1H-benzimidazol-4-amine (CID 65427678) is 2-undecyl-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-undecyl-1H-benzimidazol-4-amine?
The canonical SMILES for 2-undecyl-1H-benzimidazol-4-amine is CCCCCCCCCCCc1nc2c(N)cccc2[nH]1.
What is the InChIKey of 2-undecyl-1H-benzimidazol-4-amine?
The InChIKey is SYJWGJFZNCZKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-3-4-5-6-7-8-9-10-14-17-20-16-13-11-12-15(19)18(16)21-17/h11-13H,2-10,14,19H2,1H3,(H,20,21).
What are the key properties of 2-undecyl-1H-benzimidazol-4-amine?
2-undecyl-1H-benzimidazol-4-amine has a molecular weight of 287.45 g/mol, XLogP of 5.22, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecyl-1H-benzimidazol-4-amine is sourced from PubChem (CID 65427678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).