N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine

C12H15N3 — CID 43655401

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
SMILESc1ccc2[nH]c(CNCC3CC3)nc2c1
InChIInChI=1S/C12H15N3/c1-2-4-11-10(3-1)14-12(15-11)8-13-7-9-5-6-9/h1-4,9,13H,5-8H2,(H,14,15)
InChIKeyJJLIHRDOQCCYFG-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.06
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine

N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine (PubChem CID 43655401) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
PubChem CID43655401
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
SMILESc1ccc2[nH]c(CNCC3CC3)nc2c1
InChIInChI=1S/C12H15N3/c1-2-4-11-10(3-1)14-12(15-11)8-13-7-9-5-6-9/h1-4,9,13H,5-8H2,(H,14,15)
InChIKeyJJLIHRDOQCCYFG-UHFFFAOYSA-N
XLogP2.06
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 60787932
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine
CID 78991581
4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 79740858
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
[5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol
CID 78996710
5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-carboxylic acid
CID 78929695
N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine
CID 83961851
4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 18378994
N-(1H-benzimidazol-2-ylmethyl)thian-4-amine
CID 78911306
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine (CID 43655401) is N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine is c1ccc2[nH]c(CNCC3CC3)nc2c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine?
The InChIKey is JJLIHRDOQCCYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-4-11-10(3-1)14-12(15-11)8-13-7-9-5-6-9/h1-4,9,13H,5-8H2,(H,14,15).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine?
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine is sourced from PubChem (CID 43655401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).