(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine

C10H13N3 — CID 83857640

IUPAC(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine
SMILESCc1cccc2[nH]c([C@H](C)N)nc12
InChIInChI=1S/C10H13N3/c1-6-4-3-5-8-9(6)13-10(12-8)7(2)11/h3-5,7H,11H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyNAONXKPGABABEQ-ZETCQYMHSA-N
MW175.23 g/mol
LogP1.89
Rot. Bonds1

About (1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine

(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine (PubChem CID 83857640) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine
PubChem CID83857640
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine
SMILESCc1cccc2[nH]c([C@H](C)N)nc12
InChIInChI=1S/C10H13N3/c1-6-4-3-5-8-9(6)13-10(12-8)7(2)11/h3-5,7H,11H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyNAONXKPGABABEQ-ZETCQYMHSA-N
XLogP1.89
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile
CID 83857763
ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene
CID 123493983
4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole
CID 27408412
2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole
CID 151651960
4-methyl-1H-benzimidazol-2-amine;trihydrate;trihydrochloride
CID 141030572
5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine
CID 82846263
2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole
CID 64724117
2-[cyclooctyl(2,5-dihydro-1H-pyrrol-3-yl)methyl]-4-methyl-1H-benzimidazole
CID 142620957
N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine
CID 143959541
2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole
CID 54322285
1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride
CID 165495037
4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 60979315

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of (1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine (CID 83857640) is (1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine is Cc1cccc2[nH]c([C@H](C)N)nc12.
What is the InChIKey of (1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is NAONXKPGABABEQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3/c1-6-4-3-5-8-9(6)13-10(12-8)7(2)11/h3-5,7H,11H2,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine?
(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 175.23 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 83857640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).