3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide

C18H19N5O — CID 154775636

IUPAC3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide
SMILESO=C(NC1CCc2nccn2C1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C18H19N5O/c24-18(21-16-4-5-17-20-7-9-23(17)12-16)15-3-1-2-14(10-15)11-22-8-6-19-13-22/h1-3,6-10,13,16H,4-5,11-12H2,(H,21,24)
InChIKeyIDHSOZDQHSTEGB-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.87
Rot. Bonds4

About 3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide

3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide (PubChem CID 154775636) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide
PubChem CID154775636
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide
SMILESO=C(NC1CCc2nccn2C1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C18H19N5O/c24-18(21-16-4-5-17-20-7-9-23(17)12-16)15-3-1-2-14(10-15)11-22-8-6-19-13-22/h1-3,6-10,13,16H,4-5,11-12H2,(H,21,24)
InChIKeyIDHSOZDQHSTEGB-UHFFFAOYSA-N
XLogP1.87
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(imidazol-1-ylmethyl)benzamide
CID 122157429
N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]thiophene-3-carboxamide
CID 95136995
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)furan-3-carboxamide
CID 86771954
6-pyrazol-1-yl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide
CID 95137355
4-ethoxy-3-methoxy-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide
CID 95765477
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide
CID 95138423
3-(imidazol-1-ylmethyl)benzoate
CID 7219979
N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide
CID 119104686
3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide
CID 155958351
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-benzofuran-2-carboxamide
CID 86772115
6-pyrrolidin-1-yl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide
CID 95771822

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide?
The IUPAC name of 3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide (CID 154775636) is 3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide is O=C(NC1CCc2nccn2C1)c1cccc(Cn2ccnc2)c1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide?
The InChIKey is IDHSOZDQHSTEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(21-16-4-5-17-20-7-9-23(17)12-16)15-3-1-2-14(10-15)11-22-8-6-19-13-22/h1-3,6-10,13,16H,4-5,11-12H2,(H,21,24).
What are the key properties of 3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide?
3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide is sourced from PubChem (CID 154775636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).