N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide

C16H22N4O — CID 119889963

IUPACN-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
SMILESCn1c(CCCNC(=O)C2CCNC2)nc2ccccc21
InChIInChI=1S/C16H22N4O/c1-20-14-6-3-2-5-13(14)19-15(20)7-4-9-18-16(21)12-8-10-17-11-12/h2-3,5-6,12,17H,4,7-11H2,1H3,(H,18,21)
InChIKeyWVLUWKSMXCILRD-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.23
Rot. Bonds5

About N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide

N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 119889963) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID119889963
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
SMILESCn1c(CCCNC(=O)C2CCNC2)nc2ccccc21
InChIInChI=1S/C16H22N4O/c1-20-14-6-3-2-5-13(14)19-15(20)7-4-9-18-16(21)12-8-10-17-11-12/h2-3,5-6,12,17H,4,7-11H2,1H3,(H,18,21)
InChIKeyWVLUWKSMXCILRD-UHFFFAOYSA-N
XLogP1.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.23
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

(2R,4S)-4-hydroxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-2-carboxamide
CID 124697255
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 56792618
N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide
CID 72904958
(3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
CID 97148275
(1S,6R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide;dihydrochloride
CID 154905048
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95707440
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622
4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide
CID 119889945
N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 134126384
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 71710226

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide (CID 119889963) is N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide is Cn1c(CCCNC(=O)C2CCNC2)nc2ccccc21.
What is the InChIKey of N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is WVLUWKSMXCILRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-20-14-6-3-2-5-13(14)19-15(20)7-4-9-18-16(21)12-8-10-17-11-12/h2-3,5-6,12,17H,4,7-11H2,1H3,(H,18,21).
What are the key properties of N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide?
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119889963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).