(5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C14H21N3O2 — CID 100663312

IUPAC(5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)C[C@@H](C(=O)NC[C@@H]1CCCO1)CC2
InChIInChI=1S/C14H21N3O2/c1-9-16-12-5-4-10(7-13(12)17-9)14(18)15-8-11-3-2-6-19-11/h10-11H,2-8H2,1H3,(H,15,18)(H,16,17)/t10-,11-/m0/s1
InChIKeyZWSDWXVUDPAPAN-QWRGUYRKSA-N
MW263.34 g/mol
LogP1.12
Rot. Bonds3

About (5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

(5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 100663312) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID100663312
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)C[C@@H](C(=O)NC[C@@H]1CCCO1)CC2
InChIInChI=1S/C14H21N3O2/c1-9-16-12-5-4-10(7-13(12)17-9)14(18)15-8-11-3-2-6-19-11/h10-11H,2-8H2,1H3,(H,15,18)(H,16,17)/t10-,11-/m0/s1
InChIKeyZWSDWXVUDPAPAN-QWRGUYRKSA-N
XLogP1.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640646
N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 154770748
(5R)-2-methyl-N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664205
(5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663453
2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911219
N-(oxolan-2-ylmethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203402
N-(2,3-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640466
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 167847284
N-(2-carbamoylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640444
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109145227
(3R)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81123197

Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of (5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 100663312) is (5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for (5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for (5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)C[C@@H](C(=O)NC[C@@H]1CCCO1)CC2.
What is the InChIKey of (5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is ZWSDWXVUDPAPAN-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-16-12-5-4-10(7-13(12)17-9)14(18)15-8-11-3-2-6-19-11/h10-11H,2-8H2,1H3,(H,15,18)(H,16,17)/t10-,11-/m0/s1.
What are the key properties of (5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
(5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 100663312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).