2-(1-propylbenzimidazol-2-yl)butan-2-amine

C14H21N3 — CID 79798291

IUPAC2-(1-propylbenzimidazol-2-yl)butan-2-amine
SMILESCCCn1c(C(C)(N)CC)nc2ccccc21
InChIInChI=1S/C14H21N3/c1-4-10-17-12-9-7-6-8-11(12)16-13(17)14(3,15)5-2/h6-9H,4-5,10,15H2,1-3H3
InChIKeyWMPHCBREWYEJQZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.03
Rot. Bonds4

About 2-(1-propylbenzimidazol-2-yl)butan-2-amine

2-(1-propylbenzimidazol-2-yl)butan-2-amine (PubChem CID 79798291) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(1-propylbenzimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(1-propylbenzimidazol-2-yl)butan-2-amine
PubChem CID79798291
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(1-propylbenzimidazol-2-yl)butan-2-amine
SMILESCCCn1c(C(C)(N)CC)nc2ccccc21
InChIInChI=1S/C14H21N3/c1-4-10-17-12-9-7-6-8-11(12)16-13(17)14(3,15)5-2/h6-9H,4-5,10,15H2,1-3H3
InChIKeyWMPHCBREWYEJQZ-UHFFFAOYSA-N
XLogP3.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopentan-2-yl)benzimidazol-1-yl]ethanol
CID 54880285
2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine
CID 115472892
2-tert-butyl-1-pentylbenzimidazole
CID 17000368
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine
CID 82144558
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 112565050
3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid
CID 62677103
1-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 43470294
2-(1-phenylbenzimidazol-2-yl)pentan-2-amine
CID 43645133

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylbenzimidazol-2-yl)butan-2-amine?
The IUPAC name of 2-(1-propylbenzimidazol-2-yl)butan-2-amine (CID 79798291) is 2-(1-propylbenzimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(1-propylbenzimidazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(1-propylbenzimidazol-2-yl)butan-2-amine is CCCn1c(C(C)(N)CC)nc2ccccc21.
What is the InChIKey of 2-(1-propylbenzimidazol-2-yl)butan-2-amine?
The InChIKey is WMPHCBREWYEJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-10-17-12-9-7-6-8-11(12)16-13(17)14(3,15)5-2/h6-9H,4-5,10,15H2,1-3H3.
What are the key properties of 2-(1-propylbenzimidazol-2-yl)butan-2-amine?
2-(1-propylbenzimidazol-2-yl)butan-2-amine has a molecular weight of 231.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylbenzimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 79798291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).