N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide

C19H17FN4O — CID 36806947

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C19H17FN4O/c20-13-5-3-8-14-12(13)11-17(22-14)19(25)21-10-4-9-18-23-15-6-1-2-7-16(15)24-18/h1-3,5-8,11,22H,4,9-10H2,(H,21,25)(H,23,24)
InChIKeyXNZBQTHUCBQQOJ-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.55
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide

N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide (PubChem CID 36806947) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
PubChem CID36806947
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C19H17FN4O/c20-13-5-3-8-14-12(13)11-17(22-14)19(25)21-10-4-9-18-23-15-6-1-2-7-16(15)24-18/h1-3,5-8,11,22H,4,9-10H2,(H,21,25)(H,23,24)
InChIKeyXNZBQTHUCBQQOJ-UHFFFAOYSA-N
XLogP3.55
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 71827608
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 24612843
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 18126137
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide
CID 30359896
1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119838245
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide
CID 41478889
N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide
CID 112821054

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide (CID 36806947) is N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide is O=C(NCCCc1nc2ccccc2[nH]1)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide?
The InChIKey is XNZBQTHUCBQQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-13-5-3-8-14-12(13)11-17(22-14)19(25)21-10-4-9-18-23-15-6-1-2-7-16(15)24-18/h1-3,5-8,11,22H,4,9-10H2,(H,21,25)(H,23,24).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.55, 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]-4-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 36806947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).