N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C23H24N4O — CID 39688262

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C23H24N4O/c28-23(24-14-6-13-21-25-19-11-3-4-12-20(19)26-21)17-9-5-8-16-15-7-1-2-10-18(15)27-22(16)17/h3-5,8-9,11-12,27H,1-2,6-7,10,13-14H2,(H,24,28)(H,25,26)
InChIKeyFWWWRENHGCLNEK-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.29
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 39688262) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID39688262
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C23H24N4O/c28-23(24-14-6-13-21-25-19-11-3-4-12-20(19)26-21)17-9-5-8-16-15-7-1-2-10-18(15)27-22(16)17/h3-5,8-9,11-12,27H,1-2,6-7,10,13-14H2,(H,24,28)(H,25,26)
InChIKeyFWWWRENHGCLNEK-UHFFFAOYSA-N
XLogP4.29
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71705377
N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306
N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46581679
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55814693
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
CID 55470670
N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55811546
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
CID 36806947
1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119838245
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
CID 29303561
N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide
CID 59018404

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 39688262) is N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is O=C(NCCCc1nc2ccccc2[nH]1)c1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is FWWWRENHGCLNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(24-14-6-13-21-25-19-11-3-4-12-20(19)26-21)17-9-5-8-16-15-7-1-2-10-18(15)27-22(16)17/h3-5,8-9,11-12,27H,1-2,6-7,10,13-14H2,(H,24,28)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 39688262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).