1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine

C15H21N3 — CID 43142729

IUPAC1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1nc2ccccc2n1C1CC1
InChIInChI=1S/C15H21N3/c1-3-10(2)14(16)15-17-12-6-4-5-7-13(12)18(15)11-8-9-11/h4-7,10-11,14H,3,8-9,16H2,1-2H3
InChIKeyTYTXJTSFSMJRBV-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.42
Rot. Bonds4

About 1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine

1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine (PubChem CID 43142729) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine
PubChem CID43142729
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1nc2ccccc2n1C1CC1
InChIInChI=1S/C15H21N3/c1-3-10(2)14(16)15-17-12-6-4-5-7-13(12)18(15)11-8-9-11/h4-7,10-11,14H,3,8-9,16H2,1-2H3
InChIKeyTYTXJTSFSMJRBV-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine
CID 43470482
4-(1-cyclopropylbenzimidazol-2-yl)pentan-1-amine
CID 104683316
3-[2-(1-chloroethyl)benzimidazol-1-yl]thiolane 1,1-dioxide
CID 43666253
2-(1-chloroethyl)-1-(1-ethylpiperidin-3-yl)benzimidazole
CID 61478078
1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 60784858
(1S)-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)ethanamine
CID 83868081
1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine
CID 115473211
2-(1-chloroethyl)-1-(3,3-dimethylcyclopentyl)benzimidazole
CID 114548613
1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
CID 54920296
(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 129393280
1-cyclopropyl-N-methylbenzimidazol-2-amine
CID 21043921
ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate
CID 79472550

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine?
The IUPAC name of 1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine (CID 43142729) is 1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine is CCC(C)C(N)c1nc2ccccc2n1C1CC1.
What is the InChIKey of 1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine?
The InChIKey is TYTXJTSFSMJRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-10(2)14(16)15-17-12-6-4-5-7-13(12)18(15)11-8-9-11/h4-7,10-11,14H,3,8-9,16H2,1-2H3.
What are the key properties of 1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine?
1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 43142729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).