N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

C21H19N5O2 — CID 20954246

IUPACN-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCn1c(CCNC(=O)c2[nH]nc3c2COc2ccccc2-3)nc2ccccc21
InChIInChI=1S/C21H19N5O2/c1-26-16-8-4-3-7-15(16)23-18(26)10-11-22-21(27)20-14-12-28-17-9-5-2-6-13(17)19(14)24-25-20/h2-9H,10-12H2,1H3,(H,22,27)(H,24,25)
InChIKeyBXHKCMQEKCTQEL-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.83
Rot. Bonds4

About N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 20954246) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID20954246
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCn1c(CCNC(=O)c2[nH]nc3c2COc2ccccc2-3)nc2ccccc21
InChIInChI=1S/C21H19N5O2/c1-26-16-8-4-3-7-15(16)23-18(26)10-11-22-21(27)20-14-12-28-17-9-5-2-6-13(17)19(14)24-25-20/h2-9H,10-12H2,1H3,(H,22,27)(H,24,25)
InChIKeyBXHKCMQEKCTQEL-UHFFFAOYSA-N
XLogP2.83
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (CID 20954246) is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is Cn1c(CCNC(=O)c2[nH]nc3c2COc2ccccc2-3)nc2ccccc21.
What is the InChIKey of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is BXHKCMQEKCTQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-26-16-8-4-3-7-15(16)23-18(26)10-11-22-21(27)20-14-12-28-17-9-5-2-6-13(17)19(14)24-25-20/h2-9H,10-12H2,1H3,(H,22,27)(H,24,25).
What are the key properties of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 20954246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).