3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide

C17H17ClN4O — CID 51090240

IUPAC3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCn1ccnc1CN(C(=O)c1[nH]c2ccccc2c1Cl)C1CC1
InChIInChI=1S/C17H17ClN4O/c1-21-9-8-19-14(21)10-22(11-6-7-11)17(23)16-15(18)12-4-2-3-5-13(12)20-16/h2-5,8-9,11,20H,6-7,10H2,1H3
InChIKeyAWQRSAFGEQGKPF-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.36
Rot. Bonds4

About 3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide

3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 51090240) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide
PubChem CID51090240
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCn1ccnc1CN(C(=O)c1[nH]c2ccccc2c1Cl)C1CC1
InChIInChI=1S/C17H17ClN4O/c1-21-9-8-19-14(21)10-22(11-6-7-11)17(23)16-15(18)12-4-2-3-5-13(12)20-16/h2-5,8-9,11,20H,6-7,10H2,1H3
InChIKeyAWQRSAFGEQGKPF-UHFFFAOYSA-N
XLogP3.36
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide
CID 61051446
4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81226426
3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55912741
N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 42796220
N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 56741582
3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946346
2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 116676486
3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61108887
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63977624
N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 60959154

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide (CID 51090240) is 3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide is Cn1ccnc1CN(C(=O)c1[nH]c2ccccc2c1Cl)C1CC1.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is AWQRSAFGEQGKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-21-9-8-19-14(21)10-22(11-6-7-11)17(23)16-15(18)12-4-2-3-5-13(12)20-16/h2-5,8-9,11,20H,6-7,10H2,1H3.
What are the key properties of 3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide?
3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 51090240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).