(1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C18H19N3 — CID 95177731

IUPAC(1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCn1c(CN[C@H]2CCc3ccccc32)nc2ccccc21
InChIInChI=1S/C18H19N3/c1-21-17-9-5-4-8-16(17)20-18(21)12-19-15-11-10-13-6-2-3-7-14(13)15/h2-9,15,19H,10-12H2,1H3/t15-/m0/s1
InChIKeyMVGFYUUFQJRWLQ-HNNXBMFYSA-N
MW277.37 g/mol
LogP3.35
Rot. Bonds3

About (1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine

(1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 95177731) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is (1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID95177731
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name(1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCn1c(CN[C@H]2CCc3ccccc32)nc2ccccc21
InChIInChI=1S/C18H19N3/c1-21-17-9-5-4-8-16(17)20-18(21)12-19-15-11-10-13-6-2-3-7-14(13)15/h2-9,15,19H,10-12H2,1H3/t15-/m0/s1
InChIKeyMVGFYUUFQJRWLQ-HNNXBMFYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 95177731) is (1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Cn1c(CN[C@H]2CCc3ccccc32)nc2ccccc21.
What is the InChIKey of (1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MVGFYUUFQJRWLQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3/c1-21-17-9-5-4-8-16(17)20-18(21)12-19-15-11-10-13-6-2-3-7-14(13)15/h2-9,15,19H,10-12H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
(1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 277.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 95177731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).