[2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine

C13H17N3 — CID 83151812

IUPAC[2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine
SMILESCC(c1nc2ccc(CN)cc2[nH]1)C1CC1
InChIInChI=1S/C13H17N3/c1-8(10-3-4-10)13-15-11-5-2-9(7-14)6-12(11)16-13/h2,5-6,8,10H,3-4,7,14H2,1H3,(H,15,16)
InChIKeyVTABTSWAOSXBKB-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.54
Rot. Bonds3

About [2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine

[2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 83151812) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine
PubChem CID83151812
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine
SMILESCC(c1nc2ccc(CN)cc2[nH]1)C1CC1
InChIInChI=1S/C13H17N3/c1-8(10-3-4-10)13-15-11-5-2-9(7-14)6-12(11)16-13/h2,5-6,8,10H,3-4,7,14H2,1H3,(H,15,16)
InChIKeyVTABTSWAOSXBKB-UHFFFAOYSA-N
XLogP2.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004415
6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole
CID 83154051
(2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine
CID 79004401
[2-(thian-4-ylmethyl)-3H-benzimidazol-5-yl]methanamine
CID 83135372
2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 83154943
O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 117293706
[2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine
CID 107184982
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one
CID 177146036
2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 82497430
2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole
CID 116682100
N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine
CID 82336177

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine (CID 83151812) is [2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine is CC(c1nc2ccc(CN)cc2[nH]1)C1CC1.
What is the InChIKey of [2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is VTABTSWAOSXBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-8(10-3-4-10)13-15-11-5-2-9(7-14)6-12(11)16-13/h2,5-6,8,10H,3-4,7,14H2,1H3,(H,15,16).
What are the key properties of [2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine?
[2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 83151812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).