N-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide

C26H29N5O3 — CID 178113889

IUPACN-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1NC(=O)c1cnc2n1CCC2
InChIInChI=1S/C26H29N5O3/c1-18-4-7-20(15-22(18)29-26(33)23-16-27-24-3-2-10-31(23)24)25(32)28-21-8-5-19(6-9-21)17-30-11-13-34-14-12-30/h4-9,15-16H,2-3,10-14,17H2,1H3,(H,28,32)(H,29,33)
InChIKeyWSEYDFRSZODMSK-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.47
Rot. Bonds6

About N-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide

N-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide (PubChem CID 178113889) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide
PubChem CID178113889
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC NameN-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1NC(=O)c1cnc2n1CCC2
InChIInChI=1S/C26H29N5O3/c1-18-4-7-20(15-22(18)29-26(33)23-16-27-24-3-2-10-31(23)24)25(32)28-21-8-5-19(6-9-21)17-30-11-13-34-14-12-30/h4-9,15-16H,2-3,10-14,17H2,1H3,(H,28,32)(H,29,33)
InChIKeyWSEYDFRSZODMSK-UHFFFAOYSA-N
XLogP3.47
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 78876482
N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 141217445
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
N-[4-(morpholin-4-ylmethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86917906
methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 30396966
1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149169
3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
CID 119890407
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917104
3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 174437444

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide?
The IUPAC name of N-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide (CID 178113889) is N-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1NC(=O)c1cnc2n1CCC2.
What is the InChIKey of N-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide?
The InChIKey is WSEYDFRSZODMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-18-4-7-20(15-22(18)29-26(33)23-16-27-24-3-2-10-31(23)24)25(32)28-21-8-5-19(6-9-21)17-30-11-13-34-14-12-30/h4-9,15-16H,2-3,10-14,17H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide?
N-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide is sourced from PubChem (CID 178113889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).