N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide

C21H21ClN4O — CID 42819048

IUPACN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1cccnc1)Cc1nccn1Cc1cccc(Cl)c1
InChIInChI=1S/C21H21ClN4O/c22-19-5-1-3-16(11-19)13-25-10-9-24-20(25)15-26(21(27)18-6-7-18)14-17-4-2-8-23-12-17/h1-5,8-12,18H,6-7,13-15H2
InChIKeyVSJGVXBUBYCOTO-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.92
Rot. Bonds7

About N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide

N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide (PubChem CID 42819048) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
PubChem CID42819048
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1cccnc1)Cc1nccn1Cc1cccc(Cl)c1
InChIInChI=1S/C21H21ClN4O/c22-19-5-1-3-16(11-19)13-25-10-9-24-20(25)15-26(21(27)18-6-7-18)14-17-4-2-8-23-12-17/h1-5,8-12,18H,6-7,13-15H2
InChIKeyVSJGVXBUBYCOTO-UHFFFAOYSA-N
XLogP3.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 42819044
N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 42818873
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 168853651
N-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylcyclopropanecarboxamide
CID 42819519
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
CID 42819011
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide
CID 168853730
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide
CID 42819032
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 42819003
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 24715477
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 42819353
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 144709444
N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
CID 42820525

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide (CID 42819048) is N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide is O=C(C1CC1)N(Cc1cccnc1)Cc1nccn1Cc1cccc(Cl)c1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide?
The InChIKey is VSJGVXBUBYCOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-19-5-1-3-16(11-19)13-25-10-9-24-20(25)15-26(21(27)18-6-7-18)14-17-4-2-8-23-12-17/h1-5,8-12,18H,6-7,13-15H2.
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide?
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide has a molecular weight of 380.88 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 42819048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).