N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide

C17H20N4O — CID 122556376

IUPACN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCCn1c(CCNC(=O)c2cc[nH]c2C)nc2ccccc21
InChIInChI=1S/C17H20N4O/c1-3-21-15-7-5-4-6-14(15)20-16(21)9-11-19-17(22)13-8-10-18-12(13)2/h4-8,10,18H,3,9,11H2,1-2H3,(H,19,22)
InChIKeyDUCZQDPIMCUTHC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 122556376) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID122556376
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCCn1c(CCNC(=O)c2cc[nH]c2C)nc2ccccc21
InChIInChI=1S/C17H20N4O/c1-3-21-15-7-5-4-6-14(15)20-16(21)9-11-19-17(22)13-8-10-18-12(13)2/h4-8,10,18H,3,9,11H2,1-2H3,(H,19,22)
InChIKeyDUCZQDPIMCUTHC-UHFFFAOYSA-N
XLogP2.67
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
CID 16982340
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 16976665
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide
CID 60622965
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110909164
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 154793757
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118761675
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119866315
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16989267

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 122556376) is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide is CCn1c(CCNC(=O)c2cc[nH]c2C)nc2ccccc21.
What is the InChIKey of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is DUCZQDPIMCUTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-21-15-7-5-4-6-14(15)20-16(21)9-11-19-17(22)13-8-10-18-12(13)2/h4-8,10,18H,3,9,11H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 122556376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).