N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide

C19H19N3O — CID 91394335

IUPACN-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc2C1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C19H19N3O/c23-19(15-8-9-17-18(11-15)21-12-20-17)22-16-7-3-6-13-4-1-2-5-14(13)10-16/h1-2,4-5,8-9,11-12,16H,3,6-7,10H2,(H,20,21)(H,22,23)/t16-/m0/s1
InChIKeyHXQXTHQEESRMNE-INIZCTEOSA-N
MW305.38 g/mol
LogP3.24
Rot. Bonds2

About N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide

N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 91394335) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
PubChem CID91394335
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc2C1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C19H19N3O/c23-19(15-8-9-17-18(11-15)21-12-20-17)22-16-7-3-6-13-4-1-2-5-14(13)10-16/h1-2,4-5,8-9,11-12,16H,3,6-7,10H2,(H,20,21)(H,22,23)/t16-/m0/s1
InChIKeyHXQXTHQEESRMNE-INIZCTEOSA-N
XLogP3.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
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CID 106995338
N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide
CID 43594956
4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
CID 23509717
N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 64722974
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide
CID 71902026
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 162475306
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3H-benzimidazole-5-carboxamide
CID 25324948
N-[2-(hydroxymethyl)cyclopentyl]-3H-benzimidazole-5-carboxamide
CID 103856996
3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62304579

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide (CID 91394335) is N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide is O=C(N[C@H]1CCCc2ccccc2C1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is HXQXTHQEESRMNE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19(15-8-9-17-18(11-15)21-12-20-17)22-16-7-3-6-13-4-1-2-5-14(13)10-16/h1-2,4-5,8-9,11-12,16H,3,6-7,10H2,(H,20,21)(H,22,23)/t16-/m0/s1.
What are the key properties of N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide?
N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91394335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).