3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine

C15H17N5 — CID 116898218

IUPAC3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine
SMILESCC(CCN)c1nccc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C15H17N5/c1-10(4-6-16)15-17-7-5-12(20-15)11-2-3-13-14(8-11)19-9-18-13/h2-3,5,7-10H,4,6,16H2,1H3,(H,18,19)
InChIKeyGOTHEVQNIJZIGB-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.47
Rot. Bonds4

About 3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine

3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine (PubChem CID 116898218) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine
PubChem CID116898218
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine
SMILESCC(CCN)c1nccc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C15H17N5/c1-10(4-6-16)15-17-7-5-12(20-15)11-2-3-13-14(8-11)19-9-18-13/h2-3,5,7-10H,4,6,16H2,1H3,(H,18,19)
InChIKeyGOTHEVQNIJZIGB-UHFFFAOYSA-N
XLogP2.47
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-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-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol
CID 116903079
3-(4-pyridin-3-ylpyrimidin-2-yl)butan-1-amine
CID 116898228
6-(2-chloropyrimidin-4-yl)-1H-benzimidazole
CID 116904383
6-[2-(2-chloroethyl)pyrimidin-4-yl]-1H-benzimidazole
CID 116899357
2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine
CID 116897787
3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine
CID 82493432
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892604
4-amino-1-(3H-benzimidazol-5-yl)-2-methylbutan-1-one
CID 116916037
4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 170970828
N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973259
2-[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]propan-1-amine
CID 116897844
N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide
CID 170970468

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine?
The IUPAC name of 3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine (CID 116898218) is 3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine.
What is the SMILES notation for 3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine?
The canonical SMILES for 3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine is CC(CCN)c1nccc(-c2ccc3nc[nH]c3c2)n1.
What is the InChIKey of 3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine?
The InChIKey is GOTHEVQNIJZIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10(4-6-16)15-17-7-5-12(20-15)11-2-3-13-14(8-11)19-9-18-13/h2-3,5,7-10H,4,6,16H2,1H3,(H,18,19).
What are the key properties of 3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine?
3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine is sourced from PubChem (CID 116898218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).