N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide

C23H26N4O2 — CID 71709732

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NCCCc1nc3ccccc3[nH]1)cn2C(C)C
InChIInChI=1S/C23H26N4O2/c1-15(2)27-14-18(17-13-16(29-3)10-11-21(17)27)23(28)24-12-6-9-22-25-19-7-4-5-8-20(19)26-22/h4-5,7-8,10-11,13-15H,6,9,12H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyCQGKKAGOWSCYCT-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.47
Rot. Bonds7

About N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide

N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide (PubChem CID 71709732) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide
PubChem CID71709732
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NCCCc1nc3ccccc3[nH]1)cn2C(C)C
InChIInChI=1S/C23H26N4O2/c1-15(2)27-14-18(17-13-16(29-3)10-11-21(17)27)23(28)24-12-6-9-22-25-19-7-4-5-8-20(19)26-22/h4-5,7-8,10-11,13-15H,6,9,12H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyCQGKKAGOWSCYCT-UHFFFAOYSA-N
XLogP4.47
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide
CID 42151221
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111678961
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 30358126
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71827980
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
CID 36806947
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide
CID 134032853
N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
CID 134032843
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide (CID 71709732) is N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)NCCCc1nc3ccccc3[nH]1)cn2C(C)C.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide?
The InChIKey is CQGKKAGOWSCYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(2)27-14-18(17-13-16(29-3)10-11-21(17)27)23(28)24-12-6-9-22-25-19-7-4-5-8-20(19)26-22/h4-5,7-8,10-11,13-15H,6,9,12H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 71709732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).