(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine

C10H13N3 — CID 95992488

IUPAC(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
SMILESC[C@H](N)c1ccc2c(c1)ncn2C
InChIInChI=1S/C10H13N3/c1-7(11)8-3-4-10-9(5-8)12-6-13(10)2/h3-7H,11H2,1-2H3/t7-/m0/s1
InChIKeyCDSUAOHBGFROJZ-ZETCQYMHSA-N
MW175.23 g/mol
LogP1.59
Rot. Bonds1

About (1S)-1-(1-methylbenzimidazol-5-yl)ethanamine

(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine (PubChem CID 95992488) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (1S)-1-(1-methylbenzimidazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
PubChem CID95992488
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
SMILESC[C@H](N)c1ccc2c(c1)ncn2C
InChIInChI=1S/C10H13N3/c1-7(11)8-3-4-10-9(5-8)12-6-13(10)2/h3-7H,11H2,1-2H3/t7-/m0/s1
InChIKeyCDSUAOHBGFROJZ-ZETCQYMHSA-N
XLogP1.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 82396347
azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine
CID 116935373
3-amino-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)propanenitrile
CID 116940438
(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 95404460
N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116964360
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol
CID 116943274
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 116957549
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116957399
N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide
CID 116847070
4-(1-methylbenzimidazol-5-yl)butan-2-amine
CID 82491785
1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 116839318
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol
CID 116944232

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methylbenzimidazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-(1-methylbenzimidazol-5-yl)ethanamine (CID 95992488) is (1S)-1-(1-methylbenzimidazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-(1-methylbenzimidazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-(1-methylbenzimidazol-5-yl)ethanamine is C[C@H](N)c1ccc2c(c1)ncn2C.
What is the InChIKey of (1S)-1-(1-methylbenzimidazol-5-yl)ethanamine?
The InChIKey is CDSUAOHBGFROJZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3/c1-7(11)8-3-4-10-9(5-8)12-6-13(10)2/h3-7H,11H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(1-methylbenzimidazol-5-yl)ethanamine?
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine has a molecular weight of 175.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methylbenzimidazol-5-yl)ethanamine is sourced from PubChem (CID 95992488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).