(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone

C14H21N3O — CID 90640304

IUPAC(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone
SMILESCc1nc2c([nH]1)CC(C(=O)N1CCCCC1)CC2
InChIInChI=1S/C14H21N3O/c1-10-15-12-6-5-11(9-13(12)16-10)14(18)17-7-3-2-4-8-17/h11H,2-9H2,1H3,(H,15,16)
InChIKeyCGQZUQHGAZDKON-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.84
Rot. Bonds1

About (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone

(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone (PubChem CID 90640304) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone
PubChem CID90640304
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone
SMILESCc1nc2c([nH]1)CC(C(=O)N1CCCCC1)CC2
InChIInChI=1S/C14H21N3O/c1-10-15-12-6-5-11(9-13(12)16-10)14(18)17-7-3-2-4-8-17/h11H,2-9H2,1H3,(H,15,16)
InChIKeyCGQZUQHGAZDKON-UHFFFAOYSA-N
XLogP1.84
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 90640322
2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl chloride
CID 10703139
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(5S)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
CID 99717039
N-(2-chlorophenyl)-2-[4-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)piperazin-1-yl]acetamide
CID 75452018
N-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640525
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 90640278
2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640337
N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640349
6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one
CID 102567441
(5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664473
N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640414
(5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664502

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone (CID 90640304) is (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone is Cc1nc2c([nH]1)CC(C(=O)N1CCCCC1)CC2.
What is the InChIKey of (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone?
The InChIKey is CGQZUQHGAZDKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-15-12-6-5-11(9-13(12)16-10)14(18)17-7-3-2-4-8-17/h11H,2-9H2,1H3,(H,15,16).
What are the key properties of (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone?
(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 90640304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).