2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine

C15H23N3 — CID 81073466

IUPAC2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1nc2ccccc2n1C(C)C
InChIInChI=1S/C15H23N3/c1-4-12(10-16)9-15-17-13-7-5-6-8-14(13)18(15)11(2)3/h5-8,11-12H,4,9-10,16H2,1-3H3
InChIKeyMFJVBEUMADAWEQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.14
Rot. Bonds5

About 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine

2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine (PubChem CID 81073466) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
PubChem CID81073466
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1nc2ccccc2n1C(C)C
InChIInChI=1S/C15H23N3/c1-4-12(10-16)9-15-17-13-7-5-6-8-14(13)18(15)11(2)3/h5-8,11-12H,4,9-10,16H2,1-3H3
InChIKeyMFJVBEUMADAWEQ-UHFFFAOYSA-N
XLogP3.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
CID 115473141
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine
CID 81073284
ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate
CID 170885928
[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 81312674
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
2-(2-butylbenzimidazol-1-yl)propan-1-amine
CID 82144544
[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81161158
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 60835044
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225
N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 170866849

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine?
The IUPAC name of 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine (CID 81073466) is 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine is CCC(CN)Cc1nc2ccccc2n1C(C)C.
What is the InChIKey of 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine?
The InChIKey is MFJVBEUMADAWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-12(10-16)9-15-17-13-7-5-6-8-14(13)18(15)11(2)3/h5-8,11-12H,4,9-10,16H2,1-3H3.
What are the key properties of 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine?
2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 81073466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).