N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide

C22H23N3O2 — CID 166362314

IUPACN-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide
SMILESO=C(NCc1nc2c([nH]1)CCCC2)C1COc2ccc3ccccc3c2C1
InChIInChI=1S/C22H23N3O2/c26-22(23-12-21-24-18-7-3-4-8-19(18)25-21)15-11-17-16-6-2-1-5-14(16)9-10-20(17)27-13-15/h1-2,5-6,9-10,15H,3-4,7-8,11-13H2,(H,23,26)(H,24,25)
InChIKeyHQOHEKAGKDHXKG-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.31
Rot. Bonds3

About N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide

N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide (PubChem CID 166362314) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide
PubChem CID166362314
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide
SMILESO=C(NCc1nc2c([nH]1)CCCC2)C1COc2ccc3ccccc3c2C1
InChIInChI=1S/C22H23N3O2/c26-22(23-12-21-24-18-7-3-4-8-19(18)25-21)15-11-17-16-6-2-1-5-14(16)9-10-20(17)27-13-15/h1-2,5-6,9-10,15H,3-4,7-8,11-13H2,(H,23,26)(H,24,25)
InChIKeyHQOHEKAGKDHXKG-UHFFFAOYSA-N
XLogP3.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide
CID 166322099
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 113081515
2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide
CID 113081535
(3R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97282504
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
CID 113081462
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
CID 113081519
3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide
CID 113081493
7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72931988
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46494494
(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713220

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide (CID 166362314) is N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide is O=C(NCc1nc2c([nH]1)CCCC2)C1COc2ccc3ccccc3c2C1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide?
The InChIKey is HQOHEKAGKDHXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(23-12-21-24-18-7-3-4-8-19(18)25-21)15-11-17-16-6-2-1-5-14(16)9-10-20(17)27-13-15/h1-2,5-6,9-10,15H,3-4,7-8,11-13H2,(H,23,26)(H,24,25).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide?
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide is sourced from PubChem (CID 166362314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).