1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine

C20H23N5 — CID 151836988

IUPAC1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine
SMILESC=C(C)N1CN(Cc2nc3ccccc3n2CCC)c2cnccc21
InChIInChI=1S/C20H23N5/c1-4-11-24-17-8-6-5-7-16(17)22-20(24)13-23-14-25(15(2)3)18-9-10-21-12-19(18)23/h5-10,12H,2,4,11,13-14H2,1,3H3
InChIKeySFWCFKLCYMCJRC-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.16
Rot. Bonds5

About 1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine

1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine (PubChem CID 151836988) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine
PubChem CID151836988
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine
SMILESC=C(C)N1CN(Cc2nc3ccccc3n2CCC)c2cnccc21
InChIInChI=1S/C20H23N5/c1-4-11-24-17-8-6-5-7-16(17)22-20(24)13-23-14-25(15(2)3)18-9-10-21-12-19(18)23/h5-10,12H,2,4,11,13-14H2,1,3H3
InChIKeySFWCFKLCYMCJRC-UHFFFAOYSA-N
XLogP4.16
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol
CID 79755891
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole;hydrochloride
CID 171151742
1-(3-methylbut-3-enyl)-2-propylbenzimidazole
CID 114476798
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
CID 79753961
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79756292
1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754270

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine (CID 151836988) is 1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine is C=C(C)N1CN(Cc2nc3ccccc3n2CCC)c2cnccc21.
What is the InChIKey of 1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine?
The InChIKey is SFWCFKLCYMCJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-4-11-24-17-8-6-5-7-16(17)22-20(24)13-23-14-25(15(2)3)18-9-10-21-12-19(18)23/h5-10,12H,2,4,11,13-14H2,1,3H3.
What are the key properties of 1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine?
1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine has a molecular weight of 333.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-3-[(1-propylbenzimidazol-2-yl)methyl]-2H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 151836988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).